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7MI1

X-ray structure of yeast dynein motor domain in the presence of a pyrazolo-pyrimidinone-based compound (compound 20)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 17-ID-2
Synchrotron siteNSLS-II
Beamline17-ID-2
Temperature [K]100
Detector technologyPIXEL
Collection date2018-07-31
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.92009
Spacegroup nameP 2 21 21
Unit cell lengths135.065, 157.917, 179.309
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.660 - 4.500
R-factor0.2795
Rwork0.276
R-free0.31970
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4ai6
RMSD bond length0.003
RMSD bond angle0.574
Data reduction softwareXDS (20180319)
Data scaling softwareXSCALE (20180319)
Phasing softwarePHASER
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.6604.770
High resolution limit [Å]4.5004.500
Number of reflections23226
<I/σ(I)>5.991.13
Completeness [%]99.598.3
Redundancy6.86.5
CC(1/2)0.9950.484
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP291.15100 mM Bis-Tris pH 6.9, 200 mM sodium acetate, 12% PEG 3350, and 10 mM TCEP

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